Accurate Structure Parameters for Tunneling Ionization Rates of Gas-Phase Linear Molecules

In the molecular Ammosov–Delone–Krainov（MO-ADK） model of Tong et al. [Phys. Rev. A 66（2002）033402], the ionization rate depends on the structure parameters of the molecular orbital from which the electron is removed. We determine systematically and tabulate accurate structure parameters of the highe...

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Bibliographic Details
Published inCommunications in theoretical physics Vol. 67; no. 3; pp. 289 - 300
Main Author 赵松峰 栗建科 王国利 李鹏程 周效信
Format Journal Article
LanguageEnglish
Published 01.03.2017
Subjects
B样条函数
分子轨道
数值模拟
气相分子
电离率
线性分子
结构参数
隧穿
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ISSN0253-6102
DOI10.1088/0253-6102/67/3/289

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Summary:In the molecular Ammosov–Delone–Krainov（MO-ADK） model of Tong et al. [Phys. Rev. A 66（2002）033402], the ionization rate depends on the structure parameters of the molecular orbital from which the electron is removed. We determine systematically and tabulate accurate structure parameters of the highest occupied molecular orbital（HOMO） for 123 gas-phase linear molecules by solving time-independent Schr¨odinger equation with B-spline functions and molecular potentials which are constructed numerically using the modified Leeuwen–Baerends（LBα）model.
Bibliography:Song-Feng Zhao , Jian-Ke Li, Guo-Li Wang , Peng-Cheng Li, Xiao-Xin Zhou （ College of Physics and Electronic Engineering, Northwest Normal University/ Key Laboratory of Atomic and Molecular Physics and Functional Materials of Gansu Province, Lanzhou 730070, China）
molecular structure parameters, one-electron potentials, molecular ADK model
11-2592/O3
In the molecular Ammosov–Delone–Krainov（MO-ADK） model of Tong et al. [Phys. Rev. A 66（2002）033402], the ionization rate depends on the structure parameters of the molecular orbital from which the electron is removed. We determine systematically and tabulate accurate structure parameters of the highest occupied molecular orbital（HOMO） for 123 gas-phase linear molecules by solving time-independent Schr¨odinger equation with B-spline functions and molecular potentials which are constructed numerically using the modified Leeuwen–Baerends（LBα）model.
ISSN:0253-6102
DOI:10.1088/0253-6102/67/3/289